Chemical formula: C130H134Cu2N6O26
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Formula weight = 2323.57 |
T = 100 K |
Crystal system: triclinic Space group: P
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a = 10.430(3) Å α = 109.406(4)° |
b = 15.847(5) Å β = 92.717(4)° |
c = 19.990(6) Å γ = 108.669(4)° |
V = 2908.3(16) Å3Z = 1 |
Dx = 1.327 g/cm3
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Radiation: Mo Kα (λ = 0.71073 Å) |
µ(Mo Kα) = 0.444 mm–1F(000) = 1222 |
Crystal size = 0.12 x 0.08 x 0.03 mm3
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No. of reflections collected = 13796 |
No. of independent reflections = 9988 |
θ range for data collection: 1.10 to 25.02° |
Data/Restraints/Parameters = 9988/0/745 |
Goodness-of-fit on F2 = 0.985 |
R indices [I>2σ(I)]: R1 = 0.0673, wR2 = 0.1605 |
R indices (all data): R1 = 0.0949, wR2 = 0.1770 |
(Δ/σ)max = 0.000 |
(Δρ)max = 1.087 eÅ–3 (Δρ)min = –0.642 eÅ–3
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Measurement: Bruker Smart APEX-II ULTRA diffractometer |
Program system: SHELXTL |
Structure determination: Direct methods (SHELXS-97) |
Refinement: full matrix least-squares (SHELXL-97) |
CCDC deposition number: 1815964 |